5DY4
Crystal structure of human Sirt2 in complex with a brominated 2nd generation SirReal inhibitor and NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 84.303, 55.432, 96.176 |
| Unit cell angles | 90.00, 114.91, 90.00 |
Refinement procedure
| Resolution | 46.780 - 1.770 |
| R-factor | 0.17686 |
| Rwork | 0.175 |
| R-free | 0.21286 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rmg |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.646 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.780 | 1.810 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.095 | 2.050 |
| Number of reflections | 38622 | |
| <I/σ(I)> | 10.3 | 1 |
| Completeness [%] | 98.2 | 98.1 |
| Redundancy | 6.7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 278 | 27 % PEG 3350 |
